chemistry_tools.pubchem.enums

Attention

This module has the following additional requirements:

cawdrey>=0.1.7
mathematical>=0.1.13
pillow>=7.0.0; platform_python_implementation == "PyPy" and python_version != "3.6"
pillow>=7.0.0; platform_python_implementation != "PyPy"
pillow<=8.0.0,>=7.0.0; platform_python_implementation == "PyPy" and python_version == "3.6"
pyparsing>=2.4.6
tabulate>=0.8.9

These can be installed as follows:

python -m pip install chemistry-tools[pubchem]

Enumerations.

Classes:

CoordinateType(value)

Enumeration of valid values for the coordinate type.

PubChemFormats(value)

Enumeration of supported formats for the PubChem REST API.

PubChemNamespace(value)

Enumeration of possible values for the PubChem namespace.
enum CoordinateType(value)[source]

Bases: enum_tools.custom_enums.IntEnum

Enumeration of valid values for the coordinate type.

Member Type

int

Valid values are as follows:

TWO_D = <CoordinateType.TWO_D: 1>
THREE_D = <CoordinateType.THREE_D: 2>
SUBMITTED = <CoordinateType.SUBMITTED: 3>
EXPERIMENTAL = <CoordinateType.EXPERIMENTAL: 4>
COMPUTED = <CoordinateType.COMPUTED: 5>
STANDARDIZED = <CoordinateType.STANDARDIZED: 6>
AUGMENTED = <CoordinateType.AUGMENTED: 7>
ALIGNED = <CoordinateType.ALIGNED: 8>
COMPACT = <CoordinateType.COMPACT: 9>
UNITS_ANGSTROMS = <CoordinateType.UNITS_ANGSTROMS: 10>
UNITS_NANOMETERS = <CoordinateType.UNITS_NANOMETERS: 11>
UNITS_PIXEL = <CoordinateType.UNITS_PIXEL: 12>
UNITS_POINTS = <CoordinateType.UNITS_POINTS: 13>
UNITS_STDBONDS = <CoordinateType.UNITS_STDBONDS: 14>
UNITS_UNKNOWN = <CoordinateType.UNITS_UNKNOWN: 255>

The Enum and its members also have the following methods:

classmethod is_valid_value(value)[source]

Returns whether the value is a valid member of this enum.Enum.

Parameters

value (Any)

Return type

bool

enum PubChemFormats(value)[source]

Bases: enum_tools.custom_enums.StrEnum

Enumeration of supported formats for the PubChem REST API.

Member Type

str

Valid values are as follows:

JSON = <PubChemFormats.JSON: 'JSON'>

JSON Format

XML = <PubChemFormats.XML: 'XML'>

XML Format

CSV = <PubChemFormats.CSV: 'CSV'>

CSV Format

PNG = <PubChemFormats.PNG: 'PNG'>

PNG Format

The Enum and its members also have the following methods:

classmethod is_valid_value(value)[source]

Returns whether the value is a valid member of this enum.Enum.

Parameters

value (Any)

Return type

bool

enum PubChemNamespace(value)[source]

Bases: enum_tools.custom_enums.StrEnum

Enumeration of possible values for the PubChem namespace.

Member Type

str

Valid values are as follows:

CID = <PubChemNamespace.CID: 'cid'>

PubChem Compound ID

Name = <PubChemNamespace.Name: 'name'>

Compound Name

SMILES = <PubChemNamespace.SMILES: 'smiles'>

SMILES String

INCHIKEY = <PubChemNamespace.INCHIKEY: 'inchikey'>

InChI Key

The Enum and its members also have the following methods:

classmethod is_valid_value(value)[source]

Returns whether the value is a valid member of this enum.Enum.

Parameters

value (Any)

Return type

bool